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2HUO
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BU of 2huo by Molmil
Crystal structure of mouse myo-inositol oxygenase in complex with substrate
Descriptor: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, FE (III) ION, FORMIC ACID, ...
Authors:Brown, P.M, Caradoc-Davies, T.T, Dickson, J.M.J, Cooper, G.J.S, Loomes, K.M, Baker, E.N.
Deposit date:2006-07-27
Release date:2006-09-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a substrate complex of myo-inositol oxygenase, a di-iron oxygenase with a key role in inositol metabolism.
Proc.Natl.Acad.Sci.Usa, 103, 2006
7KS0
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BU of 7ks0 by Molmil
GluK2/K5 with 6-Cyano-7-nitroquinoxaline-2,3-dione (CNQX)
Descriptor: Glutamate receptor ionotropic, kainate 2, kainate 5,Green fluorescent protein chimera
Authors:Khanra, N, Brown, P.M.G.E, Perozzo, A.M, Bowie, D, Meyerson, J.R.
Deposit date:2020-11-20
Release date:2021-03-24
Last modified:2021-07-07
Method:ELECTRON MICROSCOPY (5.3 Å)
Cite:Architecture and structural dynamics of the heteromeric GluK2/K5 kainate receptor.
Elife, 10, 2021
7KS3
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BU of 7ks3 by Molmil
GluK2/K5 with L-Glu
Descriptor: Glutamate receptor ionotropic, kainate 2, kainate 5,Green fluorescent protein chimera
Authors:Khanra, N, Brown, P.M.G.E, Perozzo, A.M, Bowie, D, Meyerson, J.R.
Deposit date:2020-11-20
Release date:2021-03-24
Last modified:2021-07-07
Method:ELECTRON MICROSCOPY (5.8 Å)
Cite:Architecture and structural dynamics of the heteromeric GluK2/K5 kainate receptor.
Elife, 10, 2021
7A4M
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BU of 7a4m by Molmil
Cryo-EM structure of mouse heavy-chain apoferritin at 1.22 A
Descriptor: FE (III) ION, Ferritin heavy chain, ZINC ION
Authors:Nakane, T, Kotecha, A, Sente, A, Yamashita, K, McMullan, G, Masiulis, S, Brown, P.M.G.E, Grigoras, I.T, Malinauskaite, L, Malinauskas, T, Miehling, J, Yu, L, Karia, D, Pechnikova, E.V, de Jong, E, Keizer, J, Bischoff, M, McCormack, J, Tiemeijer, P, Hardwick, S.W, Chirgadze, D.Y, Murshudov, G, Aricescu, A.R, Scheres, S.H.W.
Deposit date:2020-08-20
Release date:2020-10-28
Last modified:2023-06-21
Method:ELECTRON MICROSCOPY (1.22 Å)
Cite:Single-particle cryo-EM at atomic resolution.
Nature, 587, 2020
7A5V
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BU of 7a5v by Molmil
CryoEM structure of a human gamma-aminobutyric acid receptor, the GABA(A)R-beta3 homopentamer, in complex with histamine and megabody Mb25 in lipid nanodisc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Nakane, T, Kotecha, A, Sente, A, Yamashita, K, McMullan, G, Masiulis, S, Brown, P.M.G.E, Grigoras, I.T, Malinauskaite, L, Malinauskas, T, Miehling, J, Yu, L, Karia, D, Pechnikova, E.V, de Jong, E, Keizer, J, Bischoff, M, McCormack, J, Tiemeijer, P, Hardwick, S.W, Chirgadze, D.Y, Murshudov, G, Aricescu, A.R, Scheres, S.H.W.
Deposit date:2020-08-22
Release date:2020-11-18
Last modified:2020-11-25
Method:ELECTRON MICROSCOPY (1.7 Å)
Cite:Single-particle cryo-EM at atomic resolution.
Nature, 587, 2020
4QF9
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BU of 4qf9 by Molmil
Structure of GluK1 ligand-binding domain (S1S2) in complex with (S)-2-amino-4-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)butanoic acid at 2.28 A resolution
Descriptor: (2S)-2-amino-4-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)butanoic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Kristensen, C.M, Frydenvang, K, Kastrup, J.S.
Deposit date:2014-05-20
Release date:2015-04-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Binding Mode of an alpha-Amino Acid-Linked Quinoxaline-2,3-dione Analogue at Glutamate Receptor Subtype GluK1.
ACS Chem Neurosci, 6, 2015
5M2V
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BU of 5m2v by Molmil
Structure of GluK1 ligand-binding domain (S1S2) in complex with (2S,4R)-4-(2-carboxyphenoxy)pyrrolidine-2-carboxylic acid at 3.18 A resolution
Descriptor: (2~{S},4~{R})-4-(2-carboxyphenoxy)pyrrolidine-2-carboxylic acid, CHLORIDE ION, Glutamate receptor ionotropic, ...
Authors:Frydenvang, K, Kastrup, J.S, Kristensen, C.M.
Deposit date:2016-10-13
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Design and Synthesis of a Series of l-trans-4-Substituted Prolines as Selective Antagonists for the Ionotropic Glutamate Receptors Including Functional and X-ray Crystallographic Studies of New Subtype Selective Kainic Acid Receptor Subtype 1 (GluK1) Antagonist (2S,4R)-4-(2-Carboxyphenoxy)pyrrolidine-2-carboxylic Acid.
J. Med. Chem., 60, 2017
3BXD
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BU of 3bxd by Molmil
Crystal structure of Mouse Myo-inositol oxygenase (re-refined)
Descriptor: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, FE (III) ION, FORMIC ACID, ...
Authors:Hallberg, B.M.
Deposit date:2008-01-13
Release date:2008-02-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and biophysical characterization of human myo-inositol oxygenase.
J.Biol.Chem., 283, 2008
5II2
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BU of 5ii2 by Molmil
Crystal Structure of the fifth bromodomain of human polybromo (PB1) in complex with 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
Descriptor: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, CITRIC ACID, POTASSIUM ION, ...
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S.
Deposit date:2016-03-01
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.
J.Med.Chem., 59, 2016
5II1
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BU of 5ii1 by Molmil
Crystal Structure of the fifth bromodomain of human polybromo (PB1) in complex with 1-methylisochromeno[3,4-c]pyrazol-5(3H)-one
Descriptor: 1-methyl[2]benzopyrano[3,4-c]pyrazol-5(3H)-one, Protein polybromo-1
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Myrianthopoulos, V, Mikros, E, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2016-03-01
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.
J.Med.Chem., 59, 2016
5HRX
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BU of 5hrx by Molmil
Crystal structure of the fifth bromodomain of human PB1 in complex with 1-butylisochromeno[3,4-c]pyrazol-5(2H)-one) compound
Descriptor: 1,2-ETHANEDIOL, 1-butylisochromeno[3,4-c]pyrazol-5(3H)-one, Protein polybromo-1
Authors:Tallant, C, Myrianthopoulos, V, Gaboriaud-Kolar, N, Newman, J.A, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Mikros, E, Knapp, S.
Deposit date:2016-01-24
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.
J.Med.Chem., 59, 2016
5HRW
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BU of 5hrw by Molmil
Crystal structure of the fifth bromodomain of human PB1 in complex with 1-propylisochromeno[3,4-c]pyrazol-5(2H)-one) compound
Descriptor: 1,2-ETHANEDIOL, 1-propylisochromeno[3,4-c]pyrazol-5(3H)-one, Protein polybromo-1, ...
Authors:Tallant, C, Myrianthopoulos, V, Gaboriaud-Kolar, N, Newman, J.A, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Mikros, E, Knapp, S.
Deposit date:2016-01-24
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.
J.Med.Chem., 59, 2016
5HRV
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BU of 5hrv by Molmil
Crystal structure of the fifth bromodomain of human PB1 in complex with 1-ethylisochromeno[3,4-c]pyrazol-5(2H)-one) compound
Descriptor: 1,2-ETHANEDIOL, 1-ethylisochromeno[3,4-c]pyrazol-5(3H)-one, Protein polybromo-1
Authors:Tallant, C, Myrianthopoulos, V, Gaboriaud-Kolar, N, Newman, J.A, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Mikros, E, Knapp, S.
Deposit date:2016-01-24
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.
J.Med.Chem., 59, 2016
5IID
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BU of 5iid by Molmil
Crystal Structure of the fifth bromodomain of human polybromo (PB1) in complex with 2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-chromen-4-one
Descriptor: 2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one, Protein polybromo-1
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S.
Deposit date:2016-03-01
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.
J.Med.Chem., 59, 2016

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